941 resultados para Carbonyl compound


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Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

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Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

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Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

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The Co(II)-diclofenac complex was evaluated by simultaneous thermogravimetry-differential thermal analysis (TG-DTA) and differential scanning calorimetry (DSC). The DTA curve profile shows one exothermic peak because of the transition phase of the compound between 170 and 180 A degrees C, which was confirmed by X-ray powder diffractometry. The transition phase behavior was studied by DSC curves at several heating rates of a sample mass between 1 and 10 mg in nitrogen atmosphere and in a crucible with and without a lid. Thus, the kinetic parameters were evaluated using an isoconversional non-linear fitting proposed by Capela and Ribeiro. The results show that the activation energy and pre-exponential factor for the transition phase is dependant on the different experimental conditions. Nevertheless, these results indicate that the kinetic compensation effect shows a relationship between them.

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Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

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Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

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Two binuclear cyclometallated compounds [Pd(C-2,N-dmba)(mu-N-3)](2) (1) and [Pd-2(C-2,N-dmba)(2)(mu-N-3)(mu-Cl)] (2) (dmba = N,N-dimethylbenzylarnine) have been synthesized and characterized by elemental 3 analysis, IR and NMR spectroscopies and single crystal X-ray diffraction crystallography. The ability of CH3 groups to form C(sp(3))-H...pi hydrogen bonds with phenyl rings is responsible for the molecular self-assembly within the crystals of 1 and 2. Compound 1 crystallizes as one-dimensional supramolecular chains whereas the crystal packing of 2 consists of a herringbone of sandwiches composed by two inversely related [Pd-2(C-2,N-dmba)(2)(mu-N-3)(mu-Cl)] molecules. (c) 2007 Elsevier B.V. All rights reserved.

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Reactions of Hg(CH3COO)(2) with [Fe(CO)(5)] in MeOH and EtOH lead to the compounds Hg[Fe(COOR)(CO)(4)](2) (I for R = CH3 and II for R = C2H5). Crystals of I are triclinic, P (1) over bar, with a = 6.272(2), b = 6.441(3), c = 11.703(4) Angstrom, a = 92.94(3)degrees, beta = 103.77(3)degrees, gamma = 96.10(2)degrees, and Z = 1. Crystals of II are tetragonal, I4(1)/a, with a = 17.906(3) Angstrom, c = 12.756(2) Angstrom, and Z = 8. The geometry around Hg is linear for compound I and approximately linear for compound II. The Hg-Fe distances are 2.5716(8) and 2.575(4) Angstrom for compounds I and II, respectively. The geometry around the Fe in both compounds is approximately octahedral. The carboalkoxy group is cis to Hg in both compounds with Fe-C distances equal to 2.034(6) and 2.05(4) Angstrom for compounds I and II, respectively.

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Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

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M(CO)(4)(N-N)] reacts with CuCl to give new heterobimetallic metal carbonyls of the type [M(CO)(4)(N-N)(CuCl)], M = W, Mo; N-N = 2,2'-bipyridine (bipy), 1,10-phenanthroline (phen). Reactions of [M(CO)(4)(N-N)(CuCl)] with NaSCN produced the series of complexes of general formula [M(CO)(4)(N-N)(CuSCN)]. The i.r. spectral of all the bimetallic carbonyls exhibited the general four m ( CO) band patterns of the precursors. The u.v.-vis. spectral data for precursors and products showed bands associated with pi --> pi* (nitrogen ligands), d-->d (intrametal), as well as MLCT d-->pi* (nitrogen ligands) and MLCT d --> pi*(CO) transitions. The [M(CO)(4)(N-N)(CuX)] (X = Cl, SCN) emission spectra showed only one band associated with the MLCT transition. The t.g. curves revealed a stepwise loss of CO groups. The initial decomposition temperatures of the [M(CO)(4)(N-N)(CuX)] series suggest that the bimetallic compounds are indeed thermally less stable than their precursors, and the X- ray data showed the formation of MO3, CuMO4, Cu2O and CuO as final decomposition products, M = W, Mo. The spectroscopic data suggests that the heterobimetallic compounds are polymeric.

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Reaction of equimolar amounts of [Co-2(CO)(6)(dppm)] and [Cr(eta(6)-C6H5)(C=-CCH2NMe2)(CO)(3)] (1) in benzene gives the novel heterotrimetallic complex [Cr(eta(6)-C6H5){(mu(2)-eta(2)-C=CCH2NMe2)Co-2(CO)(4)(dppm)}(CO)(3)] (2) in 40% yield. The X-ray structure analysis of 2 reveals that the Cr(CO)(3) tripod adopts a nearly anti-eclipsed conformation. (C) 2002 Elsevier B.V. B.V. All rights reserved.

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The magnetic moment using self-consistent spin-polarized energy band calculations of Fe3Al and Fe2CoAl Heusler phases are presented. These results are compared with the experimental values obtained from the magnetization curves of these materials. (C) 2004 Elsevier B.V. All rights reserved.

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Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

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The carbonyl complexes [WCl(CO)(3)(bipy) (HgCl)] (1), [Fe(CO)(4)(HgCl)(2)] (2) and W(CO)(6)] (3) were immobilized on a silica gel surface organofunctionalized with piperazine groups. The products obtained were studied by IR spectroscopy and small angle X-ray scattering (SAXS) techniques. The IR data show that the immobilization of heterobimetallic compounds 1 and 2, on the functionalized surface, occurred through the mercury atom, while for 3 the displacement of one CO group by the nitrogen of a piperazine molecule was observed. The data obtained from SAXS indicate that particles have a uniform size and reveal suitable modifications on the functionalized surface after immobilization of metal carbonyl complexes. The average intermolecular distance (l(ij)) for piperazine ligands on support is 8.7 Angstrom, for the metal carbonyl complex 1 it is 18.8 Angstrom, for complex 2 it is 16.2 Angstrom and for complex 3 it is 15.3 Angstrom. Copyright (C) 1996 Elsevier B.V. Ltd